1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C23H26ClFN4O — CID 146053363

IUPAC1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C23H25FN4O.ClH/c24-19-7-4-8-20(15-19)28-22(18-10-12-25-13-11-18)21(16-27-28)23(29)26-14-9-17-5-2-1-3-6-17;/h1-8,15-16,18,25H,9-14H2,(H,26,29);1H
InChIKeyOZIOTOYFXGORNB-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053363) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053363
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC Name1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C23H25FN4O.ClH/c24-19-7-4-8-20(15-19)28-22(18-10-12-25-13-11-18)21(16-27-28)23(29)26-14-9-17-5-2-1-3-6-17;/h1-8,15-16,18,25H,9-14H2,(H,26,29);1H
InChIKeyOZIOTOYFXGORNB-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053363) is 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCCc1ccccc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is OZIOTOYFXGORNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O.ClH/c24-19-7-4-8-20(15-19)28-22(18-10-12-25-13-11-18)21(16-27-28)23(29)26-14-9-17-5-2-1-3-6-17;/h1-8,15-16,18,25H,9-14H2,(H,26,29);1H.
What are the key properties of 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).